![{4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-methylbutyl)amine structure](/static/products/714/714286-39-2.png)
{4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-methylbutyl)amine
TL;DR: {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-methylbutyl)amine (CAS 714286-39-2) is a chemical compound with molecular formula C20H29N7O2 and molecular weight 399.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-benzylpiperazin-1-yl)-2-N-(3-methylbutyl)-5-nitropyrimidine-2,4-diamine
Also Known As: 6-(4-benzylpiperazin-1-yl)-N2-isopentyl-5-nitropyrimidine-2,4-diamine, {4-amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-methylbutyl)amine, 6-(4-benzylpiperazin-1-yl)-2-N-(3-methylbutyl)-5-nitropyrimidine-2,4-diamine, 6-(4-benzylpiperazin-1-yl)-N-(3-methylbutyl)-5-nitro-pyrimidine-2,4-diamine, 6-(4-benzylpiperazin-1-yl)-N~2~-(3-methylbutyl)-5-nitropyrimidine-2,4-diamine
| Molecular Formula | C20H29N7O2 |
|---|---|
| Molecular Weight | 399.24 g/mol |
| LogP | 2.7472 |
| Topological Polar Surface Area | 113.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.23828 |
| Heavy Atoms | 29 |
| Complexity | 821.07947 |
Chemical Identifiers
| CAS Number | 714286-39-2 |
|---|---|
| SMILES | CC(C)CCNC1=NC(=C(C(=N1)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-])N |
Product Overview
{4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-methylbutyl)amine (CAS 714286-39-2), with molecular formula C20H29N7O2 and molecular weight 399.24 g/mol. IUPAC: 6-(4-benzylpiperazin-1-yl)-2-N-(3-methylbutyl)-5-nitropyrimidine-2,4-diamine.
Chemical Property Profile of {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-methylbutyl)amine
Property Insights of {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-methylbutyl)amine
The XLogP value of 2.7472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-methylbutyl)amine. The TPSA of 113.45 Ų falls within the moderate polarity range, balancing permeability and solubility for {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-methylbutyl)amine. Following Lipinski's Rule of Five, {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-methylbutyl)amine has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-methylbutyl)amine?
The CAS number of {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-methylbutyl)amine is 714286-39-2.
What is the molecular formula of {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-methylbutyl)amine?
The molecular formula of {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-methylbutyl)amine is C20H29N7O2.
What is the molecular weight of {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-methylbutyl)amine?
The molecular weight of {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-methylbutyl)amine is 399.24 g/mol.
Where can I buy {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-methylbutyl)amine?
You can request a quote for {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-methylbutyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-methylbutyl)amine?
Yes, KEHONG BIO provides custom synthesis services for {4-Amino-5-nitro-6-[4-benzylpiperazinyl]pyrimidin-2-yl}(3-methylbutyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.